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Substance Name: 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-1H-benzimidazol-2-yl)thio)-N,N-diethyl-
RN: 112093-97-7
InChIKey: FWGMVLZPULCKIJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N4-S

Molecular Weight

  • 396.5998
 
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Names and Synonyms

Synonym

  • 4-((1-(4-(Diethylamino)-2-butynyl)-1H-benzimidazol-2-yl)thio)-N,N-diethyl-2-butyn-1-amine

Systematic Name

  • 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-1H-benzimidazol-2-yl)thio)-N,N-diethyl-

Registry Numbers

CAS Registry Number

  • 112093-97-7

System Generated Number

  • 0112093977

Structure Descriptors

InChI

1S/C23H32N4S/c1-5-25(6-2)17-11-12-19-27-22-16-10-9-15-21(22)24-23(27)28-20-14-13-18-26(7-3)8-4/h9-10,15-16H,5-8,17-20H2,1-4H3

InChIKey

FWGMVLZPULCKIJ-UHFFFAOYSA-N

Smiles

CCN(CC)CC#CCn1c2ccccc2nc1SCC#CCN(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1650mg/kg (1650mg/kg)   Indian Drugs. Vol. 24, Pg. 545, 1987.